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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM938934 Image of MNXM938934
referenceslm:000631319
formulaC83H153NO9P
global charge-1
mol weight1340.109
InChIKeyPLLCLNGPBLXZMV-CSSZDUIHSA-M
InChIInChI=1S/C83H154NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-36-37-38-39-40-41-42-43-44-46-47-49-51-53-56-59-62-65-68-71-74-82(86)90-78-80(79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-24-21-18-15-12-9-6-3)93-83(87)75-72-69-66-63-60-57-54-52-50-48-45-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,36-37,80H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-35,38-79H2,1-3H3,(H,84,85)(H,88,89)/p-1/b10-7-,19-16-,27-25-,33-31-,37-36-/t80-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C83H154NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-36-37-38-39-40-41-42-43-44-46-47-49-51-53-56-59-62-65-68-71-74-82(86)90-78-80(79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-24-21-18-15-12-9-6-3)93-83(87)75-72-69-66-63-60-57-54-52-50-48-45-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,33,36-37,80H,4-6,8-9,11-15,17-18,20-24,26,28-30,32,34-35,38-79H2,1-3H3,(H,84,85)(H,88,89)/b10-7-,19-16-,27-25-,33-31-,37-36-/t80-/m1/s1 Image of MNXM938934
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:46][CH2:47][CH2:49][CH2:51][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][C:82](=[O:86])[O:90][CH2:78][C@H:80]([CH2:79][O:92][P:94]([OH:88])(=[O:89])[O:91][CH2:77][CH2:76][N:84]=[C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:85])[O:93][C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:52][CH2:50][CH2:48][CH2:45][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:87]
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:000631319
slm:000631319
PLLCLNGPBLXZMV-CSSZDUIHSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/26:0/16:0)