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cardiolipin (tetrahexadecanoyl, n-C16:0)

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1379112 Image of MNXM1379112 Image of MNXM1379112
#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 10
formulaC73H140O17P2
charge-2
mass1351.852
referencemetacycM:CPD-12824
InChIKeyGRTNLBQYBYZCCM-UHFFFAOYSA-L
InChIInChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82)/p-2
SMILES[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:70](=[O:75])[O:83][CH2:63][CH:68]([CH2:65][O:87][P:91]([OH:79])(=[O:80])[O:85][CH2:61][CH:67]([CH2:62][O:86][P:92]([OH:81])(=[O:82])[O:88][CH2:66][CH:69]([CH2:64][O:84][C:71]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:76])[O:90][C:73]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:78])[OH:74])[O:89][C:72]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:77]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-12824
metacycM:CPD-12824
vmhM:clpn160
vmhM:clpn160
vmhmetabolite:clpn160
vmhmetabolite:clpn160 		cardiolipin (tetrahexadecanoyl, n-C16:0)
bigg.metabolite:clpn160
biggM:clpn160 		Cardiolipin (tetrahexadecanoyl, n-C16:0)
biggM:M_clpn160 secondary/obsolete/fantasy identifier