CHEBI:28956 - cobinamide

Main ChEBI Ontology Automatic Xrefs
ChEBI Name cobinamide
ChEBI ID CHEBI:28956
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3798, CHEBI:23342
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Formula C48H72CoN11O8
Net Charge +2
Average Mass 990.08740
InChI InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
InChIKey FEESAGIUMZGLMF-JFYQDRLCSA-M
SMILES [H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)O)C3=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co++]57N23)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O
ChEBI Ontology
Outgoing cobinamide (CHEBI:28956) is a cobalt-corrinoid hexaamide (CHEBI:23390)
Incoming adenosylcobinamide (CHEBI:2480) has functional parent cobinamide (CHEBI:28956)
adenosylcobinamide phosphate (CHEBI:2481) has functional parent cobinamide (CHEBI:28956)
Synonyms Sources
Cbi CBN
Cob(I)inamide KEGG COMPOUND
Cobinamid ChEBI
Cobinamide KEGG COMPOUND
cobinamide CBN
Database Links Databases
C05774 KEGG COMPOUND
CBY PDBeChem
View more database links
Registry Numbers Types Sources
1018261 Gmelin Registry Number Gmelin
13497-85-3 CAS Registry Number ChemIDplus
4122727 Beilstein Registry Number Beilstein
Last Modified
04 août 2014