1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-) (CHEBI:78264)

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CHEBI:78264 - 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−)

Default Structure

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ChEBI ID	CHEBI:78264
ChEBI Name	1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−)
Stars
ASCII Name	1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-)
Definition	A 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1−) in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified	10 March 2017
Submitter	nhn
Downloads	Molfile

Formula	C46H77NO9P
Net Charge	-1
Average Mass	819.094
Monoisotopic Mass	818.53414
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
InChI	InChI=1S/C46H78NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,39,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/p-1/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,39-37-/t43-,44+/m1/s1
InChIKey	PVBBVCZTXMHVIW-IJFXEMRPSA-M

ChEBI Ontology

Outgoing Relation(s)
	1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−) (CHEBI:78264) is a 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1−) (CHEBI:78355)
	1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−) (CHEBI:78264) is conjugate base of 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79102)
Incoming Relation(s)
	1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79102) is conjugate acid of 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−) (CHEBI:78264)

IUPAC Name
(2S,8R,13Z,16Z,19Z,22Z,25Z,28Z)-2-azaniumyl-8-{[(1Z)-octadec-1-en-1-yloxy]methyl}-5-oxido-10-oxo-4,6,9-trioxa-5-phosphahentriaconta-13,16,19,22,25,28-hexaen-1-oate 5-oxide

Synonym	Source
1-(1Z-octadecenyl)-2-docosahexaenoyl-sn-glycero-3-phosphoserine(1−)	SUBMITTER

UniProt Name	Source
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-L-serine	UniProt

Citations