BMCCPPCB0001

Basic Metabolism Top (代謝トップ)

Molecule Index (化合物索引)

EC classes ( EC分類)

Input New Data (新規入力)

Upper classes : BM Basic Metabolites : BMCC Conjugated cycle 共役環 : BMCCPP porphyrin ring ポルフィリン環 :  BMCCPPCB cobalamin コバラミン (13 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	?
KEGG	C06510
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPPCB0001.mol

Adenosine-GDP-cobinamide
Structural Information
Systematic Name	[(2R,3S,4R,5R) -5- (2-Amino-6-oxo-3H-purin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] 1- [3- [(2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R) -2,13,18-tris(2-amino-2-oxoethyl) -7,12,17-tris(3-amino-3-oxopropyl) -3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl] propanoylamino] propan-2-yl hydrogen phosphate; (2R,3R,4S,5R) -2- (6-aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+)
Common Name	Adenosine-GDP-cobinamide Adenosylcobinamide-GDP
Symbol
Formula	C68H97CoN21O21P2
Exact Mass	1664.5975
Average Mass	1665.5074
SMILES	[C@@](C%14=7)(C)([C@H](C(N%148)[C@](N=4%10)(C)[C@@](CC(N)=O)(C)[C@H](CCC(N)=O)C(C(C)=C(N=59)[C@](CC(=O)N)([C@@H](C5C=C(C(C)(C)6)N([Co+1](C[C@@H](O%11)[C@H]([C@@H](O)[C@@H]%11n(c%13)c(c(n%13)%12)ncnc%12N)O)89%10)=C(C(C)7)[C@@H](CCC(N)=O)6)CCC(=O)N)C)4)CC(N)=O)CCC(=O)NC[C@H](OP(O)(=O)OP(OC[C@@H](O1)[C@H]([C@@H](O)[C@H](n(c23)cnc2C(NC(N)=N3)=O)1)O)(O)=O)C
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Related Atomic Mappings, Enzymes, and Pathways

• Adenosyl cobalamin ⇔ this
• (2R,3R,4S,5R) -2- (6-Aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+) ; 1- [3- [(2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R) -2,13,18-tris(2-amino-2-oxoethyl) -7,12,17-tris(3-amino-3-oxopropyl) -3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl] propanoylamino] propan-2-yl dihydrogen phosphate ⇔ this
• GDP ⇔ this
• GMP ⇔ this