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(Q27163133)
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English
9,12,13-trihydroxyoctadec-10-enoic acid
chemical compound
9,12,13-Todea
9,12,13-Trihydroxy-10-octadecenoic acid
9,12,13-TriHOME(10)
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
fatty acid
0 references
mass
330.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄O₅
0 references
canonical SMILES
CCCCCC(C(C(=C(C(CCCCCCCC(=O)O)O)[H])[H])O)O
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
isomeric SMILES
CCCCCC(C(\C(=C(/C(CCCCCCCC(=O)O)O)\[H])\[H])O)O
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
Identifiers
InChI
InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13-
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
InChIKey
MDIUMSLCYIJBQC-YPKPFQOOSA-N
2 references
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
29907-56-0
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
PubChem CID
139031827
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
Reaxys registry number
22819892
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
ChEBI ID
91217
mapping relation type
exact match
1 reference
stated in
ChEBI
ChEBI ID
91217
language of work or name
English
title
9,12,13-trihydroxyoctadec-10-enoic acid
(English)
retrieved
9 October 2016
UniChem compound ID
147747587
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10904328
0 references
DSSTOX compound identifier
DTXCID801333486
0 references
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