(Q76399599)

English

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

diacylglycerophosphoethanolamine

0 references

mass

713.4995548939999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₇₂NO₈P

0 references

canonical SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1

0 references

InChIKey

QONZHKTZKTUIMU-WSQRTPJYSA-N

0 references

PubChem CID

9546746

2 references

stated in

PubChemLite tier0 and tier1

matched by identifier from

InChIKey

QONZHKTZKTUIMU-WSQRTPJYSA-N

102515246

1 reference

matched by identifier from

InChIKey

QONZHKTZKTUIMU-WSQRTPJYSA-N

ChEBI ID

137202

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37H,3-4,6,8-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,18-17-/t37-/m1/s1

1 reference

Human Metabolome Database ID

HMDB0008930

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QONZHKTZKTUIMU-WSQRTPJYSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

QONZHKTZKTUIMU-WSQRTPJYSA-N

(Q76399599)

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)