MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

	Properties	Image
MNX_ID	MNXM959098
reference	slm:000651483
formula	C₇₃H₁₂₁NO₉P
global charge	-1
mol weight	1187.743
InChIKey	MAWSNOBCWHYYIV-LJGQVIMOSA-M
InChI	InChI=1S/C73H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(77)83-70(68-80-72(76)64-61-58-55-52-49-46-43-40-29-26-23-20-17-14-11-8-5-2)69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-29,31-32,34-35,42-43,46,52,55,70H,4-6,8-9,11-15,22-24,30,33,36-41,44-45,47-51,53-54,56-69H2,1-3H3,(H,74,75)(H,78,79)/p-1/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,42-27-,46-43-,55-52-/t70-/m1/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C73H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(77)83-70(68-80-72(76)64-61-58-55-52-49-46-43-40-29-26-23-20-17-14-11-8-5-2)69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-29,31-32,34-35,42-43,46,52,55,70H,4-6,8-9,11-15,22-24,30,33,36-41,44-45,47-51,53-54,56-69H2,1-3H3,(H,74,75)(H,78,79)/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,42-27-,46-43-,55-52-/t70-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:77])[O:83][C@H:70]([CH2:68][O:80][C:72]([CH2:64][CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:76])[CH2:69][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:67][CH2:66][N:74]=[C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75]

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
Identifier	Description
SLM:000651483 slm:000651483 MAWSNOBCWHYYIV-LJGQVIMOSA-M	1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine N-(9Z,12Z-octadecadienoyl)-1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sn-glycero-3-phosphoethanolamine NAPE (20:4(5Z,8Z,11Z,14Z)/30:5(15Z,18Z,21Z,24Z,27Z)/18:2(9Z,12Z))