(Q76416506)

English

24-Ketocholesterol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-{7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylheptan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

400.334130648 dalton

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₂

0 references

canonical SMILES

O=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

0 references

isomeric SMILES

C[C@H](CCC(=O)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

0 references

found in taxon

Durvillaea potatorum

1 reference

stated in

Lipids from the bull kelp Durvillaea potatorum

Eisenia bicyclis

2 references

stated in

A C26 sterol from the brown alga Eisenia bicyclis

stated in

A C26 sterol from the brown alga Eisenia bicyclis

hijiki

1 reference

stated in

Constituents in marine algae. VII. Nonpolar constituents of Hizikia fusiformis (HARVEY) OKAMURA.

Identifiers

InChI

InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-24,28H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1

0 references

InChIKey

PGLNLCWHYQYRGQ-ZHHJOTBYSA-N

0 references

PubChem CID

11036808

1 reference

matched by identifier from

InChIKey

PGLNLCWHYQYRGQ-ZHHJOTBYSA-N

ChEBI ID

172974

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-24,28H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1

SureChEMBL ID

SCHEMBL4614035

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PGLNLCWHYQYRGQ-ZHHJOTBYSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

PGLNLCWHYQYRGQ-ZHHJOTBYSA-N

(Q76416506)

24-Ketocholesterol

Statements

Identifiers

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