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hydrogenobyrinic acid (CHEBI:17926)

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ChEBI Name hydrogenobyrinic acid
ChEBI ID CHEBI:17926
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41604, CHEBI:5788, CHEBI:24643, CHEBI:24641, CHEBI:14415
Supplier Information
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Formula Source
C45H60N4O14 KEGG COMPOUND
Net Charge 0
Average Mass 880.97646
InChI
InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(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
MYMATQFDUQLSCD-IPUCCYEASA-N
SMILES
[H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O
ChEBI Ontology
Outgoing hydrogenobyrinic acid (CHEBI:17926) is a precorrin (CHEBI:26228)
hydrogenobyrinic acid (CHEBI:17926) is conjugate acid of hydrogenobyrinate(4−) (CHEBI:77873)
hydrogenobyrinic acid (CHEBI:17926) is conjugate acid of hydrogenobyrinate(6−) (CHEBI:58323)
Incoming cob(II)yrinic acid (CHEBI:52499) has functional parent hydrogenobyrinic acid (CHEBI:17926)
cob(III)yrinic acid (CHEBI:33907) has functional parent hydrogenobyrinic acid (CHEBI:17926)
hydrogenobyrinic acid a,c-diamide (CHEBI:27914) has functional parent hydrogenobyrinic acid (CHEBI:17926)
cobyrinic acid (CHEBI:52500) is a hydrogenobyrinic acid (CHEBI:17926)
hydrogenobyrinate(4−) (CHEBI:77873) is conjugate base of hydrogenobyrinic acid (CHEBI:17926)
hydrogenobyrinate(6−) (CHEBI:58323) is conjugate base of hydrogenobyrinic acid (CHEBI:17926)
Synonyms Sources
Hydrogenobyrinate KEGG COMPOUND
Hydrogenobyrinic acid KEGG COMPOUND
Hydrogenobyrinsäure ChEBI
Database Links Databases
C06399 KEGG COMPOUND
DB02460 DrugBank
View more database links
Registry Numbers Types Sources
23599-55-5 CAS Registry Number ChemIDplus
4227766 Beilstein Registry Number Beilstein
Last Modified
04 August 2014

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