hydrogenobyrinic acid a,c-diamide (CHEBI:27914)

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CHEBI:27914 - hydrogenobyrinic acid a,c-diamide

Default Structure

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ChEBI ID	CHEBI:27914
ChEBI Name	hydrogenobyrinic acid a,c-diamide
Stars
ASCII Name	hydrogenobyrinic acid a,c-diamide
Secondary ChEBI IDs	CHEBI:5789, CHEBI:24642
Last Modified	31 January 2019
Downloads	Molfile

Formula	C45H62N6O12
Net Charge	0
Average Mass	879.021
Monoisotopic Mass	878.44257
SMILES	[H][C@]12N=C(/C(C)=C3\N=C(/C=C4\N=C(/C(C)=C5\N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)O)C(C)(C)[C@@H]3CCC(=O)O)[C@](C)(CCC(=O)O)[C@H]2CC(=O)O
InChI	InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChIKey	JJMDOVLPFPOLFZ-IPUCCYEASA-N

Roles Classification

Biological Role:

cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

ChEBI Ontology

Outgoing Relation(s)
	hydrogenobyrinic acid a,c-diamide (CHEBI:27914) has functional parent hydrogenobyrinic acid (CHEBI:17926)
	hydrogenobyrinic acid a,c-diamide (CHEBI:27914) is a precorrin (CHEBI:26228)
	hydrogenobyrinic acid a,c-diamide (CHEBI:27914) is conjugate acid of hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874)
	hydrogenobyrinic acid a,c-diamide (CHEBI:27914) is conjugate acid of hydrogenobyrinic acid a,c-diamide(4−) (CHEBI:58536)
Incoming Relation(s)
	cobyrinic acid a,c diamide (CHEBI:48033) has functional parent hydrogenobyrinic acid a,c-diamide (CHEBI:27914)
	hydrogenobyrinic acid a,c-diamide(2−) (CHEBI:77874) is conjugate base of hydrogenobyrinic acid a,c-diamide (CHEBI:27914)
	hydrogenobyrinic acid a,c-diamide(4−) (CHEBI:58536) is conjugate base of hydrogenobyrinic acid a,c-diamide (CHEBI:27914)

Synonyms	Source
Hydrogenobyrinate a,c diamide	KEGG COMPOUND
Hydrogenobyrinate diamide	KEGG COMPOUND
Hydrogenobyrinic acid a,c diamide	KEGG COMPOUND
Hydrogenobyrinic acid a,c-diamide	KEGG COMPOUND

Manual Xrefs	Databases
C06503	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:5227717	Beilstein