(Q76725446)

English

[(2S)-3-hydroxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-tetracos-15-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

700.6005756599998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₅H₈₀O₅

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canonical SMILES

CCCCCC=CCC=CCC=CCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,43,46H,3-11,13,15-16,20-24,26-29,31,33-42H2,1-2H3/b14-12-,19-17-,25-18-,32-30-/t43-/m0/s1

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InChIKey

JXMYCGIDLPFVIL-YISPAMIHSA-N

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PubChem CID

53478579

1 reference

matched by identifier from

InChIKey

JXMYCGIDLPFVIL-YISPAMIHSA-N

1 reference

Human Metabolome Database ID

HMDB0007829

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JXMYCGIDLPFVIL-YISPAMIHSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

JXMYCGIDLPFVIL-YISPAMIHSA-N

(Q76725446)

[(2S)-3-hydroxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-tetracos-15-enoate

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