(Q106009796)

English

(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine

chemical compound

3-{[(4E,7E,10E,13E,16E,19E)-docosa-4,8,12,15,19-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate

In more languages

Statements

type of chemical entity

0 references

fatty acyl carnitines

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473.350508984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₇NO₄

0 references

canonical SMILES

O=C([O-])CC(OC(=O)CCC=CCCC=CCCC=CCC=CCCC=CCC)C[N+](C)(C)C

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isomeric SMILES

CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+

1 reference

ChEBI release 2021-03-01

AOSDFVDGMYPTHD-NQXOOMTHSA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

1 reference

ChEBI release 2021-03-01

UniChem compound ID

1 reference

Human Metabolome Database ID

1 reference

based on heuristic

inferred from InChIKey

1 reference

AOSDFVDGMYPTHD-NQXOOMTHSA-N

17 April 2021

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

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