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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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5-Methylhex-4-enoyl-CoA
MNXM5560 is deprecated and here replaced by MNXM738154
!!! Alternative mappings exist !!!
Properties
Image
Occurences in reactions
MNX_ID
MNXM738154
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
28
H
46
N
7
O
17
P
3
S
charge
0
mass
877.18837
reference
chebi:80513
InChIKey
BEYYLHUMFMWPLH-AXEMQUGESA-N
InChI
InChI=1S/C28H46N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h6,14-15,17,21-23,27,38-39H,5,7-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1
SMILES
CC(C)=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...0ed0837a276b
envipathM:...0ed0837a276b
CHEBI:80513
chebi:80513
5-Methylhex-4-enoyl-CoA