CHEBI:172133 - Mactraxanthin

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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 Mactraxanthin
ChEBI ID CHEBI:172133
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H60O6
Net Charge 0
Average Mass 636.914
Monoisotopic Mass 636.43899
InChI InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39+,40+/m0/s1
InChIKey QOXCNWZDKKXAOL-AOXVFRMFSA-N
SMILES O[C@@]1(C(C[C@H](O)C[C@]1(O)C)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/[C@@]2(O)C(C[C@H](O)C[C@]2(O)C)(C)C)\C)\C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Mactraxanthin (CHEBI:172133) is a xanthophyll (CHEBI:27325)
IUPAC Name
(1R,2R,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol
Manual Xref Database
59700063 ChemSpider
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