Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:02:52 UTC
Update Date2022-08-31 06:23:46 UTC
Metabolite IDMMDBc0005436
Metabolite Identification
Common NameSarcinaxanthin
DescriptionSarcinaxanthin belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, sarcinaxanthin is considered to be an isoprenoid. Based on a literature review a significant number of articles have been published on Sarcinaxanthin.
Structure
SynonymsNot Available
Molecular FormulaC50H72O2
Average Mass705.124
Monoisotopic Mass704.553231558
IUPAC Name(2E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2,2-dimethyl-6-methylidenecyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,2-dimethyl-4-methylidenecyclohexyl]-2-methylbut-2-en-1-ol
Traditional Name(2E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2,2-dimethyl-6-methylidenecyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,2-dimethyl-4-methylidenecyclohexyl]-2-methylbut-2-en-1-ol
CAS Registry NumberNot Available
SMILES
[H]\C(C[C@@]1([H])CCC(=C)[C@@]([H])(C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])[C@]2([H])C(=C)CC[C@]([H])(C\C([H])=C(/C)CO)C2(C)C)C1(C)C)=C(\C)CO
InChI Identifier
InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
InChI KeyXFXHBQLETDDGGF-XUYZKQIISA-N