Mol:BMCCPTPTe006
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 59 0 0 1 0 0 0 0 0999 V2000 | + | 55 59 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -6.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -6.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.6110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.6110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.1110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.1110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3412 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3412 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9345 -1.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9345 -1.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -7.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -7.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9400 -1.6329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.9400 -1.6329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.2708 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2708 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9345 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9345 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9345 1.9358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.9345 1.9358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 8.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 9.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 9.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 9.9345 3.6678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 9.9345 3.6678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 11.4345 4.5338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 11.4345 4.5338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 11.0277 5.4474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.0277 5.4474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.7709 6.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.7709 6.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.6369 5.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.6369 5.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 13.5505 6.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5505 6.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.9091 6.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.9091 6.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.9956 5.6611 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 16.9956 5.6611 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 16.8911 4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.8911 4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.7001 4.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.7001 4.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.5955 3.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5955 3.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -4.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -4.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4345 1.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4345 1.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9345 1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9345 1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4345 4.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4345 4.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0496 5.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0496 5.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6664 7.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6664 7.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4290 4.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4290 4.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.3595 5.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.3595 5.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.2730 5.8422 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.2730 5.8422 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.6798 4.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.6798 4.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.8663 6.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.8663 6.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.1866 6.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.1866 6.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.0137 7.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.0137 7.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.7182 5.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.7182 5.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.6820 2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.6820 2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.4046 2.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4046 2.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 8 1 0 0 0 0 | + | 11 8 1 0 0 0 0 |
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| − | 24 39 1 4 0 0 0 | + | 24 39 1 4 0 0 0 |
| − | 25 40 1 4 0 0 0 | + | 25 40 1 4 0 0 0 |
| − | 26 41 1 4 0 0 0 | + | 26 41 1 4 0 0 0 |
| − | 27 43 1 0 0 0 0 | + | 27 43 1 0 0 0 0 |
| − | 27 42 1 4 0 0 0 | + | 27 42 1 4 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 34 51 1 4 0 0 0 | + | 34 51 1 4 0 0 0 |
| − | 33 53 1 0 0 0 0 | + | 33 53 1 0 0 0 0 |
| − | 33 52 2 0 0 0 0 | + | 33 52 2 0 0 0 0 |
| − | 34 33 1 0 0 0 0 | + | 34 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 54 1 0 0 0 0 | + | 37 54 1 0 0 0 0 |
| − | 37 55 2 0 0 0 0 | + | 37 55 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 15 1 0 0 0 0 | + | 10 15 1 0 0 0 0 |
| − | 15 6 1 0 0 0 0 | + | 15 6 1 0 0 0 0 |
| − | 15 16 1 4 0 0 0 | + | 15 16 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTPTe006 | + | ID BMCCPTPTe006 |
| − | NAME 5, | + | NAME (2S) -2- [ [(2R,3S,4R,5S) -5- [(2R,3S,4S) -5- [4- [(6S,6aR,7R) -3-Amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo [1,5-f] pteridin-8-yl] phenyl] -2,3,4-trihydroxypentoxy] -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxypentanedioic acid |
| − | FORMULA C31H45N6O17P | + | CAS_RN 128500-56-1 |
| − | EXACTMASS 804.2578 | + | FORMULA C31H45N6O17P |
| − | AVERAGEMASS 804.693 | + | EXACTMASS 804.2578 |
| − | SMILES C(C(C(Cc(c2)ccc(N(C5C)CN(C35)C(C4=O)=C(N=C(N4)N)NC(C)3)c2)O)O)(O)C(O[C@H](O1)[C@H](O)[C@@H]([C@@H](COP(O)(=O)OC(CCC(O)=O)C(O)=O)1)O)O | + | AVERAGEMASS 804.693 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04377 | + | SMILES C(C(C(Cc(c2)ccc(N(C5C)CN(C35)C(C4=O)=C(N=C(N4)N)NC(C)3)c2)O)O)(O)C(O[C@H](O1)[C@H](O)[C@@H]([C@@H](COP(O)(=O)OC(CCC(O)=O)C(O)=O)1)O)O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04377 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:03, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
55 59 0 0 1 0 0 0 0 0999 V2000
3.7321 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -3.1110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -4.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 -1.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -7.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9400 -1.6329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2708 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4345 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9345 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9345 1.9358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.4345 2.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.9345 3.6678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
11.4345 4.5338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0277 5.4474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7709 6.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.6369 5.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5505 6.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9091 6.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9956 5.6611 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
16.8911 4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7001 4.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5955 3.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -4.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4345 1.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9345 1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4345 4.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9345 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0496 5.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6664 7.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4290 4.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3595 5.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.2730 5.8422 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
15.6798 4.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8663 6.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1866 6.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0137 7.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7182 5.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6820 2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4046 2.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 1 2 0 0 0 0
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12 4 1 0 0 0 0
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11 8 1 0 0 0 0
8 7 1 0 0 0 0
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6 5 1 0 0 0 0
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4 38 2 0 0 0 0
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29 28 1 0 0 0 0
28 46 1 1 0 0 0
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31 30 1 0 0 0 0
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28 43 1 0 0 0 0
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32 47 1 0 0 0 0
10 17 1 0 0 0 0
22 21 2 0 0 0 0
22 17 1 0 0 0 0
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18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
24 39 1 4 0 0 0
25 40 1 4 0 0 0
26 41 1 4 0 0 0
27 43 1 0 0 0 0
27 42 1 4 0 0 0
47 48 1 0 0 0 0
48 51 1 0 0 0 0
48 50 1 0 0 0 0
48 49 2 0 0 0 0
34 51 1 4 0 0 0
33 53 1 0 0 0 0
33 52 2 0 0 0 0
34 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 54 1 0 0 0 0
37 55 2 0 0 0 0
9 10 1 0 0 0 0
10 15 1 0 0 0 0
15 6 1 0 0 0 0
15 16 1 4 0 0 0
S SKP 7
ID BMCCPTPTe006
NAME (2S) -2- [ [(2R,3S,4R,5S) -5- [(2R,3S,4S) -5- [4- [(6S,6aR,7R) -3-Amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo [1,5-f] pteridin-8-yl] phenyl] -2,3,4-trihydroxypentoxy] -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxypentanedioic acid
CAS_RN 128500-56-1
FORMULA C31H45N6O17P
EXACTMASS 804.2578
AVERAGEMASS 804.693
SMILES C(C(C(Cc(c2)ccc(N(C5C)CN(C35)C(C4=O)=C(N=C(N4)N)NC(C)3)c2)O)O)(O)C(O[C@H](O1)[C@H](O)[C@@H]([C@@H](COP(O)(=O)OC(CCC(O)=O)C(O)=O)1)O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04377
M END
