MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Flux balance (FBA)
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compound 0288313
Properties
Image
Occurences in reactions
MNX_ID
MNXM1368299
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
26
H
37
N
4
O
5
charge
-1
mass
485.605
reference
envipathM:...0b72e2dcbb7e
InChIKey
AIJSIRRONCSPPB-ATQQBANMSA-M
InChI
InChI=1S/C26H38N4O5/c1-17(15-18(2)23(35-4)16-20-9-6-5-7-10-20)12-13-21(19(3)25(33)34)30-24(32)22(31)11-8-14-29-26(27)28/h5-7,9-10,12-13,15,18-19,21,23H,8,11,14,16H2,1-4H3,(H,30,32)(H,33,34)(H4,27,28,29)/p-1/b13-12+,17-15+/t18-,19-,21-,23-/m0/s1
SMILES
[CH3:1][C:17](/[CH:12]=[CH:13]/[C@@H:21]([C@H:19]([CH3:3])[C:25](=[O:33])[OH:34])[NH:30][C:24]([C:22]([CH2:11][CH2:8][CH2:14][NH:29][C:26](=[NH:27])[NH2:28])=[O:31])=[O:32])=[CH:15]\[C@H:18]([CH3:2])[C@H:23]([CH2:16][c:20]1[cH:9][cH:6][cH:5][cH:7][cH:10]1)[O:35][CH3:4]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...0b72e2dcbb7e
envipathM:...0b72e2dcbb7e
compound 0288313
envipath:...4d6d624c75f4
envipathM:...4d6d624c75f4
compound 0287682