Terminology Service for NFDI4Health
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(3S)-3-Hydroxyadipyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_34002

Term info

Label

(3S)-3-Hydroxyadipyl-CoA

Synonyms
  • (3S)-3-Hydroxyadipyl-CoA
database cross reference
Subsets

2_STAR

charge

0

formula

C27H44N7O20P3S

has obo namespace

chebi_ontology

id

CHEBI:34002

inchi

InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,15+,20+,21+,22?,26+/m0/s1

inchikey

OTEACGAEDCIMBS-PXUUTJOASA-N

mass

911.662

monoisotopicmass

911.15747

smiles

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCC(O)=O