CHEBI:176860 - 18'-hydroxy-chi,chi-caroten-18-oic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 18'-hydroxy-chi,chi-caroten-18-oic acid
ChEBI ID CHEBI:176860
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H46O3
Net Charge 0
Average Mass 574.805
Monoisotopic Mass 574.34470
InChI InChI=1S/C40H46O3/c1-28(15-11-17-30(3)19-21-36-23-24-38(27-41)33(6)32(36)5)13-9-10-14-29(2)16-12-18-31(4)20-22-37-25-26-39(40(42)43)35(8)34(37)7/h9-26,41H,27H2,1-8H3,(H,42,43)/b10-9+,15-11+,16-12+,21-19+,22-20+,28-13+,29-14+,30-17+,31-18+
InChIKey QELCRTHCYSTRJW-GQHZKSQNSA-N
SMILES OCC1=C(C(=C(C=C1)\C=C\C(\C)=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2=C(C(=C(C=C2)C(O)=O)C)C)/C)/C)\C)C)C
Metabolite of Species Details
Trypanosoma congolense (NCBI:txid5692) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 18'-hydroxy-chi,chi-caroten-18-oic acid (CHEBI:176860) is a diterpenoid (CHEBI:23849)
IUPAC Name
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(hydroxymethyl)-2,3-dimethylphenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic acid