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(Q74411742)
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Povpc
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aldehydes
0 references
1,2-diacyl-sn-glycero-3-phosphocholine
0 references
mass
593.3692690019999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₉H₅₆NO₉P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC([H])=O)=O)COC(CCCCCCCCCCCCCCC)=O
0 references
Identifiers
InChI
InChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
RKIDALSACBQVTN-HHHXNRCGSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
121324-31-0
0 references
PubChem CID
23557187
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RKIDALSACBQVTN-HHHXNRCGSA-N
Reaxys registry number
15471652
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
77890
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1
SureChEMBL ID
SCHEMBL244825
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RKIDALSACBQVTN-HHHXNRCGSA-N
UniChem compound ID
9260233
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10634936
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
RKIDALSACBQVTN-HHHXNRCGSA-N
DSSTOX compound identifier
DTXCID80585688
0 references
Probes And Drugs ID
PD021497
0 references
LIPID MAPS ID
LMGP20010005
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
SwissLipids ID
SLM:000389473
1 reference
matched by identifier from
InChIKey
InChIKey
RKIDALSACBQVTN-HHHXNRCGSA-N
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