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(Q74411818)
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English
2-heptanoyl-sn-glycero-3-phosphocholine
chemical compound
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
monoacylglycerophosphocholine
0 references
onium betaine
0 references
lysophosphatidylcholine
0 references
mass
369.19163899399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₃₂NO₇P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCC)=O)CO
0 references
Identifiers
InChI
InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)23-14(12-17)13-22-24(19,20)21-11-10-16(2,3)4/h14,17H,5-13H2,1-4H3/t14-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
XHIJUZNRGPLVKF-CQSZACIVSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
24779501
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XHIJUZNRGPLVKF-CQSZACIVSA-N
ChEBI ID
138266
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)23-14(12-17)13-22-24(19,20)21-11-10-16(2,3)4/h14,17H,5-13H2,1-4H3/t14-/m1/s1
UniChem compound ID
56785652
1 reference
stated in
UniChem
LIPID MAPS ID
LMGP01050095
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:000598074
1 reference
matched by identifier from
InChIKey
InChIKey
XHIJUZNRGPLVKF-CQSZACIVSA-N
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