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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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CDP-1-palmitoyl-2-palmitoleoylglycerol
Properties
Image
Occurences in reactions
MNX_ID
MNXM1105017
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
44
H
77
N
3
O
15
P
2
charge
-2
mass
949.48409
reference
seedM:cpd34313
InChIKey
PQSHMALAWALIIC-BHJBNGJZSA-L
InChI
InChI=1S/C44H79N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h14,16,31-32,36-37,41-43,50-51H,3-13,15,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2/b16-14+/t36-,37-,41-,42-,43-/m1/s1
SMILES
CCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd34313
seedM:cpd34313
CDP-1-palmitoyl-2-palmitoleoylglycerol
seedM:M_cpd34313
secondary/obsolete/fantasy identifier