CHEBI:33908 - cobinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cobinic acid
ChEBI ID CHEBI:33908
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23343, CHEBI:33223
Supplier Information
Download Molfile XML SDF
Formula C48H66CoN5O14
Net Charge +1
Average Mass 995.99614
Monoisotopic Mass 995.394
InChI InChI=1S/C48H67N5O14.Co/c1-23(54)22-49-32(55)16-17-45(6)29(18-36(62)63)43-48(9)47(8,21-38(66)67)28(12-15-35(60)61)40(53-48)25(3)42-46(7,20-37(64)65)26(10-13-33(56)57)30(50-42)19-31-44(4,5)27(11-14-34(58)59)39(51-31)24(2)41(45)52-43;/h19,23,26-29,43,54H,10-18,20-22H2,1-9H3,(H8,49,50,51,52,53,55,56,57,58,59,60,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
InChIKey PEDFDUUSOKWQAH-JFYQDRLCSA-M
SMILES [H][C@](C)(O)CNC(=O)CC[C@]1(C)[C@@H](CC(O)=O)[C@@]2([H])N3C1=C(C)C1=[N]4C(=CC5=[N]6C(=C(C)C7=[N]([C@]2(C)[C@@](C)(CC(O)=O)[C@@H]7CCC(O)=O)[Co+]346)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)C(C)(C)[C@@H]1CCC(O)=O
ChEBI Ontology
Outgoing cobinic acid (CHEBI:33908) is a cobalt corrinoid (CHEBI:33906)
Synonym Source
cobinic acid CBN
Last Modified
25 January 2006