cholesteryl octadec-9-enoate (Q27120720)

Cholesterol Oleate (English)

[(3S,8R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₄₅H₇₈O₂

1 reference

Cholesterol Oleate (English)

6 October 2016

canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

1 reference

Cholesterol Oleate (English)

6 October 2016

isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

1 reference

Cholesterol Oleate (English)

Jean-Claude Bradley Open Melting Point Dataset

6 October 2016

melting point

46.0 degree Celsius

1 reference

stated in

found in taxon

Homo sapiens

1 reference

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

1 reference

Cholesterol Oleate (English)

RJECHNNFRHZQKU-XNTGVSEISA-N

6 October 2016

InChIKey

2 references

Cholesterol Oleate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta)-Cholest-5-en-3-yl (9E)-9-octadecenoate (English)

6 October 2016

1 reference

Cholesterol Oleate (English)

6 October 2016

Reaxys registry number

5464973

1 reference

cholesteryl octadec-9-enoate (English)

6 October 2016

ChEBI ID

46900

mapping relation type

1 reference