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Hexadecenoyl carnitine

PropertiesImage
MNX_IDMNXM1363404 Image of MNXM1363404
referencebiggM:hdcecrn
formulaC23H43NO4
global charge0
mol weight397.6
InChIKeyJFAGPSOZZSTLRF-KUFMOJEASA-N
InChIInChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m1/s1 Image of MNXM1363404
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:23](=[O:27])[O:28][C@H:21]([CH2:19][C:22](=[O:25])[O-:26])[CH2:20][N+:24]([CH3:2])([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:hdcecrn
biggM:hdcecrn
JFAGPSOZZSTLRF-KUFMOJEASA-N
Hexadecenoyl carnitine
hmdb:HMDB0013207
JFAGPSOZZSTLRF-KUFMOJEASA-N
9-Hexadecenoylcarnitine
(3R)-3-[(9Z)-Hexadec-9-enoyloxy]-4-(trimethylazaniumyl)butanoic acid
(3R)-3-[(9Z)-hexadec-9-enoyloxy]-4-(trimethylammonio)butanoate
(3R)-3-[(9Z)-hexadec-9-enoyloxy]-4-(trimethylazaniumyl)butanoate
Palmitoleoylcarnitine

hmdb:HMDB13207
biggM:M_hdcecrn
secondary/obsolete/fantasy identifier