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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compound 0288221
Properties
Image
Occurences in reactions
MNX_ID
MNXM1368555
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
38
H
57
N
6
O
8
charge
-1
mass
725.908
reference
envipathM:...5b6f8ea97ac0
InChIKey
BYOWESNCFFWRSJ-XKCNGSGHSA-M
InChI
InChI=1S/C38H58N6O8/c1-22(2)19-31(34(40)46)43-36(48)26(6)41-37(49)27(7)44(8)33(45)18-17-30(38(50)51)42-35(47)25(5)29(39)16-15-23(3)20-24(4)32(52-9)21-28-13-11-10-12-14-28/h10-16,20,22,24-26,29-32H,7,17-19,21,39H2,1-6,8-9H3,(H2,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)/p-1/b16-15+,23-20+/t24-,25-,26+,29-,30+,31-,32-/m0/s1
SMILES
[CH3:1][CH:22]([CH3:2])[CH2:19][C@@H:31]([C:34](=[NH:40])[OH:46])[N:43]=[C:36]([C@@H:26]([CH3:6])[N:41]=[C:37]([C:27](=[CH2:7])[N:44]([CH3:8])[C:33]([CH2:18][CH2:17][C@H:30]([C:38](=[O:50])[OH:51])[N:42]=[C:35]([C@@H:25]([CH3:5])[C@H:29](/[CH:16]=[CH:15]/[C:23]([CH3:3])=[CH:20]/[C@H:24]([CH3:4])[C@H:32]([CH2:21][c:28]1[cH:13][cH:11][cH:10][cH:12][cH:14]1)[O:52][CH3:9])[NH2:39])[OH:47])=[O:45])[OH:49])[OH:48]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...5b6f8ea97ac0
envipathM:...5b6f8ea97ac0
compound 0288221
envipath:...c9ebb2bbacf5
envipathM:...c9ebb2bbacf5
compound 0287864