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CHEBI:187341 - Nostoxanthin sulfate

ChEBI IDCHEBI:187341
ChEBI NameNostoxanthin sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H55O7S.Na
Net Charge0
Average Mass702.930
Monoisotopic Mass702.35662
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OS(=O)(=O)[O-])[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1.[Na+]
InChIInChI=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
InChIKeyKOMXLFNYYNPBIR-REIIZZLTSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
17220915ChemSpider
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