(Q76726645)

English

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

811.5152049579999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₇₄NO₈P

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canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

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Identifiers

InChI

InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32,34,45H,3-4,9-10,15-16,21,23,25,30-31,33,35-44,48H2,1-2H3,(H,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t45-/m1/s1

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InChIKey

MMOPEEAETNGGBU-UITKOVCGSA-N

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PubChem CID

53479961

1 reference

matched by identifier from

InChIKey

MMOPEEAETNGGBU-UITKOVCGSA-N

1 reference

Human Metabolome Database ID

HMDB0009665

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MMOPEEAETNGGBU-UITKOVCGSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

MMOPEEAETNGGBU-UITKOVCGSA-N

(Q76726645)

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

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