CHEBI:187341 - Nostoxanthin sulfate

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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 Nostoxanthin sulfate
ChEBI ID CHEBI:187341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H55O7S.Na
Net Charge 0
Average Mass 702.920
Monoisotopic Mass 702.35662
InChI InChI=1S/C40H56O7S.Na/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(42)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(47-48(44,45)46)38(43)40(34,9)10;/h11-24,35-38,41-43H,25-26H2,1-10H3,(H,44,45,46);/q;+1/p-1/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+;/t35-,36-,37+,38+;/m1./s1
InChIKey KOMXLFNYYNPBIR-REIIZZLTSA-M
SMILES S(O[C@H]1[C@H](O)C(C(=C(C1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C([C@@H](O)[C@H](O)CC2C)(C)C)/C)/C)(C)C)([O-])(=O)=O.[Na+]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Nostoxanthin sulfate (CHEBI:187341) is a xanthophyll (CHEBI:27325)
IUPAC Name
sodium;[(1R,6R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-3,5,5-trimethylcyclohex-3-en-1-yl] sulate
Manual Xrefs Databases
17220915 ChemSpider
LMPR01070105 LIPID MAPS
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