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CHEBI:226848 - 2'-isopentenylsaproxanthin

ChEBI IDCHEBI:226848
ChEBI Name2'-isopentenylsaproxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H64O2
Net Charge0
Average Mass637.005
Monoisotopic Mass636.49063
SMILESCC(C)=CC[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)C(C)(C)O
InChIInChI=1S/C45H64O2/c1-34(2)26-29-41(45(11,12)47)30-27-38(6)24-17-23-37(5)22-15-20-35(3)18-13-14-19-36(4)21-16-25-39(7)28-31-43-40(8)32-42(46)33-44(43,9)10/h13-28,30-31,41-42,46-47H,29,32-33H2,1-12H3/b14-13+,20-15+,21-16+,23-17+,30-27+,31-28+,35-18+,36-19+,37-22+,38-24+,39-25+/t41-,42+/m0/s1
InChIKeyZNJFCHTZWZJRIK-INBUKFEZSA-N
Species of MetaboliteComponentSourceComments
Jejuia pallidilutea (ncbitaxon:504487) - PubMed (24723292)
ChEBI Ontology
Outgoing Relation(s)
2'-isopentenylsaproxanthin (CHEBI:226848) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-23-(2-hydroxypropan-2-yl)-3,7,12,16,20,26-hexamethylheptacosa-1,3,5,7,9,11,13,15,17,19,21,25-dodecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Manual XrefsDatabases
34981704ChemSpider