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1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-nonadecanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM938650 Image of MNXM938650
referenceslm:000631035
formulaC66H119NO9P
global charge-1
mol weight1101.65
InChIKeyCLPNNFFXBLRGNX-AFGFFRLFSA-M
InChIInChI=1S/C66H120NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-51-54-57-65(69)73-61-63(62-75-77(71,72)74-60-59-67-64(68)56-53-50-12-9-6-3)76-66(70)58-55-52-49-47-45-43-40-24-22-20-18-16-14-11-8-5-2/h7,10,15,17,21,23,26-27,29-30,63H,4-6,8-9,11-14,16,18-20,22,24-25,28,31-62H2,1-3H3,(H,67,68)(H,71,72)/p-1/b10-7-,17-15-,23-21-,27-26-,30-29-/t63-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C66H120NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-51-54-57-65(69)73-61-63(62-75-77(71,72)74-60-59-67-64(68)56-53-50-12-9-6-3)76-66(70)58-55-52-49-47-45-43-40-24-22-20-18-16-14-11-8-5-2/h7,10,15,17,21,23,26-27,29-30,63H,4-6,8-9,11-14,16,18-20,22,24-25,28,31-62H2,1-3H3,(H,67,68)(H,71,72)/b10-7-,17-15-,23-21-,27-26-,30-29-/t63-/m1/s1 Image of MNXM938650
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:73][CH2:61][C@H:63]([CH2:62][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:60][CH2:59][N:67]=[C:64]([CH2:56][CH2:53][CH2:50][CH2:12][CH2:9][CH2:6][CH3:3])[OH:68])[O:76][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:47][CH2:45][CH2:43][CH2:40][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70]
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:000631035
slm:000631035
CLPNNFFXBLRGNX-AFGFFRLFSA-M
1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-nonadecanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (34:5(19Z,22Z,25Z,28Z,31Z)/19:0/8:0)