(Q76727265)

English

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

chemical compound

In more languages

Statements

group of stereoisomers

0 references

chemical compound

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529.3168395059998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₈NO₇P

0 references

canonical SMILES

CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COP(=O)(O)OCCN

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

0 references

Identifiers

InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1

0 references

VLFJNHPNIOTOOA-YMIVKDKMSA-N

0 references

1 reference

matched by identifier from

VLFJNHPNIOTOOA-YMIVKDKMSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VLFJNHPNIOTOOA-YMIVKDKMSA-N

1 reference

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

30 June 2018

2 references

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

6 November 2021

matched by identifier from

VLFJNHPNIOTOOA-YMIVKDKMSA-N

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