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1-O-(1Z,9Z,12Z-octadecatrienyl)-2-propionyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1023423 Image of MNXM1023423
referenceslm:000715812
formulaC32H57NO8P
global charge-1
mol weight614.781
InChIKeyRZVPQESOBMQWLX-SAMPREPTSA-M
InChIInChI=1S/C32H58NO8P/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-38-28-30(41-32(35)6-3)29-40-42(36,37)39-27-25-33-31(34)24-22-8-5-2/h11-12,14-15,23,26,30H,4-10,13,16-22,24-25,27-29H2,1-3H3,(H,33,34)(H,36,37)/p-1/b12-11-,15-14-,26-23-/t30-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C32H58NO8P/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-38-28-30(41-32(35)6-3)29-40-42(36,37)39-27-25-33-31(34)24-22-8-5-2/h11-12,14-15,23,26,30H,4-10,13,16-22,24-25,27-29H2,1-3H3,(H,33,34)(H,36,37)/b12-11-,15-14-,26-23-/t30-/m1/s1 Image of MNXM1023423
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]/[CH:23]=[CH:26]\[O:38][CH2:28][C@H:30]([CH2:29][O:40][P:42]([OH:36])(=[O:37])[O:39][CH2:27][CH2:25][N:33]=[C:31]([CH2:24][CH2:22][CH2:8][CH2:5][CH3:2])[OH:34])[O:41][C:32]([CH2:6][CH3:3])=[O:35]
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:000715812
slm:000715812
RZVPQESOBMQWLX-SAMPREPTSA-M
1-O-(1Z,9Z,12Z-octadecatrienyl)-2-propionyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(1Z,9Z,12Z-octadecatrienyl)-2-propionyl-sn-glycero-3-phosphoethanolamine
NAPE (P-18:2(9Z,12Z)/3:0/6:0)