BMCCPPCB0011

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	C06504
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPPCB0011.mol

Cob (II) yrinate a,c diamide
Structural Information
Systematic Name	3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R) -2,7-Bis (2-Amino-2-oxoethyl) -8,13,17-tris(2-carboxyethyl) -18- (carboxymethyl) -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanoic acid; cobalt(2+)
Common Name	Cob (II) yrinate a,c diamide Cob (II) yrinate diamide Cob (II) yrinic acid a,c-diamide
Symbol
Formula	C45H61CoN6O12
Exact Mass	936.3679
Average Mass	936.9322
SMILES	OC(=O)C[C@@H]([C@@H]83)[C@](CCC(O)=O)(C)C(N86)=C(C(=N51)[C@@H](CCC(O)=O)C(C)(C)C1=CC(=N72)[C@H]([C@@](C)(C(=C(C(=N([Co+2]567)4)[C@H]([C@]([C@@]34C)(C)CC(N)=O)CCC(O)=O)C)2)CC(N)=O)CCC(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

• 3- [(1R,2S,3S,5Z,7S,8S,9Z,13S,14Z,17R,18R) -2,7-Bis (2-Amino-2-oxoethyl) -8,13,17-tris (2-carboxyethyl) -18- (carboxymethyl) -1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-3-yl] propanoic acid ⇔ this
• this ⇔ 3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R) -2,7-Bis (2-amino-2-oxoethyl) -8,13,17-tris(2-carboxyethyl) -18- (carboxymethyl) -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanoic acid; cobalt