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3(S)-hydroxy-cis-15-tetracosaenoyl-CoA
Properties
Image
Occurences in reactions
MNX_ID
MNXM163174
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
6
formula
C
45
H
76
N
7
O
18
P
3
S
charge
-4
mass
1127.42023
reference
biggM:CE5157
InChIKey
SOQFCYAWKYIIHN-RNATUXINSA-J
InChI
InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h11-12,31-34,38-40,44,53,56-57H,4-10,13-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33?,34?,38?,39?,40?,44-/m0/s1
SMILES
CCCCCCCCC=CCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
bigg.metabolite:CE5157
biggM:CE5157
3(S)-hydroxy-cis-15-tetracosaenoyl-CoA
biggM:M_CE5157
secondary/obsolete/fantasy identifier