BMCCPPCB0012

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	13408-78-1
KEGG	C05776
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPPCB0012.mol

Cob (III) alamin
Structural Information
Systematic Name	Cob (III) alamin
Common Name	Cob (III) alamin
Symbol
Formula	C62H89CoN13O14P
Exact Mass	1329.5721
Average Mass	1330.3562
SMILES	C(N3=1)(=C(C)9)[C@](CC(=O)N)([C@H](CCC(N)=O)C1C=C(N=24)C(C)(C)[C@H](CCC(N)=O)C2C(=C([C@@]8(C)%12)N(C%11[C@H](CC(N)=O)%12)[Co+3]34(C)(N([C@@]%11(C)%10)=C9[C@@H](CCC(N)=O)[C@@]%10(C)CC(=O)N)n(c6)c(c5n6[C@H]([C@H]7O)O[C@H]([C@@H]7OP(O[C@H](C)CNC(=O)CC8)([O-1])=O)O)cc(C)c(c5)C)C)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

• this ⇔ this

• EC3.6.3.33