BMCCPPCB0004

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	C06509
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPPCB0004.mol

Adenosyl cobinamide phosphate
Structural Information
Systematic Name	(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
Common Name	Adenosyl cobinamide phosphate
Symbol
Formula	C58H85CoN16O14P
Exact Mass	1319.55
Average Mass	1320.3019
SMILES	C[C@](C=4%11)(CCC(=O)NC[C@@H](OP(O)(O)=O)C)[C@H](C(N%117)[C@@](C)(N=16)[C@](C)(CC(N)=O)[C@@H](C1C(C)=C(N5=2)[C@@](C)([C@H](CCC(N)=O)C2C=C(C(C)(C)3)N([Co+1]56(C[C@@H](O8)[C@@H](O)[C@@H](O)[C@@H]8n(c%109)cnc9c(N)ncn%10)7)=C(C4C)[C@H]3CCC(N)=O)CC(N)=O)CCC(N)=O)CC(N)=O
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

• (2R,3R,4S,5R) -2- (6-Aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+) ; 3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R) -2,7,18-tris(2-amino-2-oxoethyl) -8,13-bis(3-amino-3-oxopropyl) -17- [3- (2-hydroxypropylamino) -3-oxopropyl] -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanamide ⇔ this
• this ⇔ [(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+)