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1-(10Z,13Z,16Z-docosatrienoyl)-2-hexanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM185022 Image of MNXM185022
referenceslm:000021003
formulaC31H53O8P
global charge-2
mol weight584.731
InChIKeyITNMJWUPOAANTH-KKSICHDYSA-L
InChIInChI=1S/C31H55O8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-23-6-4-2/h9-10,12-13,15-16,29H,3-8,11,14,17-28H2,1-2H3,(H2,34,35,36)/p-2/b10-9-,13-12-,16-15-/t29-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C31H55O8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-23-6-4-2/h9-10,12-13,15-16,29H,3-8,11,14,17-28H2,1-2H3,(H2,34,35,36)/b10-9-,13-12-,16-15-/t29-/m1/s1 Image of MNXM185022
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][C:30](=[O:32])[O:37][CH2:27][C@H:29]([CH2:28][O:38][P:40]([OH:34])([OH:35])=[O:36])[O:39][C:31]([CH2:26][CH2:23][CH2:6][CH2:4][CH3:2])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000021003
slm:000021003
ITNMJWUPOAANTH-KKSICHDYSA-L
1-(10Z,13Z,16Z-docosatrienoyl)-2-hexanoyl-sn-glycero-3-phosphate
PA(22:3(10Z,13Z,16Z)/6:0)
Phosphatidate (22:3(10Z,13Z,16Z)/6:0)