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1,2-di-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM174799 Image of MNXM174799
referenceslm:000034852
formulaC65H106NO8P
global charge0
mol weight1060.536
InChIKeyGPBNNFUIIGCWHM-DTTHEMSPSA-N
InChIInChI=1S/C65H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-64(67)71-61-63(62-73-75(69,70)72-60-59-66)74-65(68)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,63H,3-4,9-10,15-16,21-22,27-28,33-34,39-62,66H2,1-2H3,(H,69,70)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t63-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C65H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-64(67)71-61-63(62-73-75(69,70)72-60-59-66)74-65(68)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,63H,3-4,9-10,15-16,21-22,27-28,33-34,39-62,66H2,1-2H3,(H,69,70)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t63-/m1/s1 Image of MNXM174799
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][C:64](=[O:67])[O:71][CH2:61][C@H:63]([CH2:62][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:60][CH2:59][NH2:66])[O:74][C:65]([CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:68]
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:000034852
slm:000034852
GPBNNFUIIGCWHM-DTTHEMSPSA-N
1,2-di-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
PE(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))
Phosphatidylethanolamine (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))