Search MNXref
 Feedback

CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM121961 Image of MNXM121961
referencehmdb:HMDB0057245
formulaC83H150O17P2
global charge0
mol weight1482.044
InChIKeyGJWMPRHSXGPRRR-JQBBNGAHSA-N
InChIInChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,46-42-,58-54-/t77-,78-,79-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25-26,28,30,32-33,37,42,46,54,58,77-79,84H,5-20,22-24,27,29,31,34-36,38-41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,30-26-,32-28-,37-33-,46-42-,58-54-/t77-,78-,79-/m1/s1 Image of MNXM121961
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:38]/[CH:42]=[CH:46]\[CH2:50]/[CH:54]=[CH:58]\[CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:100][C@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86])[CH2:76][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:72][C@@H:77]([CH2:71][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:75][C@@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87])[OH:84]
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
hmdb:HMDB0057245
GJWMPRHSXGPRRR-JQBBNGAHSA-N 		CL(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))
(2R)-3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid
1'-[1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/20:4(5Z,8Z,11Z,14Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(18:0/20:4/18:1/18:1)
CL(74:6)
Cardiolipin(18:0/20:4/18:1/18:1)
Cardiolipin(74:6)
[(2R)-3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid

SLM:000518739
slm:000518739
GJWMPRHSXGPRRR-KCWIDEGMSA-L 		Cardiolipin (18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))
1'-[1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))

hmdb:HMDB57245 		secondary/obsolete/fantasy identifier