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(Q106009879)
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English
2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
chemical compound
(2R)-2-{[(9Z)-hexadec-9-enoyl]oxy}-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
493.316839506
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₄₈NO₇P
0 references
canonical SMILES
O=C(OC(CO)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC
0 references
isomeric SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
0 references
Identifiers
InChI
InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
OEJYWQCXHNOOHC-ZXEGGCGDSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
122164832
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
133515
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1
UniChem compound ID
148541352
1 reference
stated in
UniChem
SwissLipids ID
SLM:000014196
2 references
stated in
SwissLipids
reference URL
https://www.swisslipids.org/#/downloads
retrieved
6 November 2021
matched by identifier from
InChIKey
InChIKey
OEJYWQCXHNOOHC-ZXEGGCGDSA-N
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