Search MNXref
 Feedback

CL(18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

PropertiesImage
MNX_IDMNXM121727 Image of MNXM121727
referencehmdb:HMDB0056976
formulaC83H150O17P2
global charge0
mol weight1482.044
InChIKeyJMCHEBSLECUVPR-JUAWKFEWSA-N
InChIInChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77-,78-,79-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21,25,28,32-33,36,38-39,46,50,58,62,77-79,84H,5-20,22-24,26-27,29-31,34-35,37,40-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,32-28-,36-33-,39-38-,50-46-,62-58-/t77-,78-,79-/m1/s1 Image of MNXM121727
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:42]/[CH:46]=[CH:50]\[CH2:54]/[CH:58]=[CH:62]\[CH2:66][CH2:70][C:83](=[O:88])[O:100][C@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85])[CH2:75][O:97][P:101]([OH:89])(=[O:90])[O:95][CH2:71][C@H:77]([CH2:72][O:96][P:102]([OH:91])(=[O:92])[O:98][CH2:76][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][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[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:HMDB0056976
JMCHEBSLECUVPR-JUAWKFEWSA-N 		CL(18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Dioctadecanoyl-rac-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Distearoyl-rac-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/18:0],3'-[16:1(9Z)/16:1(9Z)])
CL(18:0/18:0/16:1/16:1)
CL(68:2)
Cardiolipin(18:0/18:0/16:1/16:1)
Cardiolipin(68:2)
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy]phosphinic acid

SLM:000517633
slm:000517633
JMCHEBSLECUVPR-HTKJEUACSA-L 		Cardiolipin (18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1,2-di-octadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB56976 		secondary/obsolete/fantasy identifier