(Q27140097)

Linoelaidyl carnitine (English)

7 October 2016

chemical formula

C₂₅H₄₅NO₄

1 reference

Linoelaidyl carnitine (English)

7 October 2016

canonical SMILES

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

1 reference

Linoelaidyl carnitine (English)

7 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Linoelaidyl carnitine (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+

1 reference

Linoelaidyl carnitine (English)

MJLXQSQYKZWZCB-OKLKQMLOSA-N

7 October 2016

InChIKey

2 references

Linoelaidyl carnitine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(9E,12E)-9,12-Octadecadienoyloxy]-4-(trimethylammonio)butanoate (English)

7 October 2016

2 references

Linoelaidyl carnitine (English)

matched by identifier from

7 October 2016

InChIKey

MJLXQSQYKZWZCB-OKLKQMLOSA-N

ChEBI ID

72715

mapping relation type

2 references

O-linoelaidylcarnitine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+

1 reference

Human Metabolome Database ID

HMDB0006461

reason for deprecated rank

cannot be confirmed by other sources

0 references

1 reference

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