MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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obyanamide

	Properties	Image
MNX_ID	MNXM107349
reference	chebi:66805
formula	C₃₀H₄₁N₅O₆S
global charge	0
mol weight	599.754
InChIKey	HTERYHQTEBIQTA-USLAZGEGSA-N
InChI	InChI=1S/C30H41N5O6S/c1-8-21-15-24(36)41-19(5)29(39)35(7)25(17(2)3)30(40)34(6)23(14-20-12-10-9-11-13-20)27(38)31-18(4)28-33-22(16-42-28)26(37)32-21/h9-13,16-19,21,23,25H,8,14-15H2,1-7H3,(H,31,38)(H,32,37)/t18-,19-,21-,23-,25-/m0/s1
SMILES	CC[C@H]1CC(=O)O[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C2=NC(=CS2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C30H41N5O6S/c1-8-21-15-24(36)41-19(5)29(39)35(7)25(17(2)3)30(40)34(6)23(14-20-12-10-9-11-13-20)27(38)31-18(4)28-33-22(16-42-28)26(37)32-21/h9-13,16-19,21,23,25H,8,14-15H2,1-7H3,(H,31,38)(H,32,37)/t18-,19-,21-,23-,25-/m0/s1
SMILES (mnx)	[CH3:1][CH2:8][C@H:21]1[CH2:15][C:24](=[O:36])[O:41][C@@H:19]([CH3:5])[C:29](=[O:39])[N:35]([CH3:7])[C@@H:25]([CH:17]([CH3:2])[CH3:3])[C:30](=[O:40])[N:34]([CH3:6])[C@@H:23]([CH2:14][C:20]2=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13]2)[C:27]([OH:38])=[N:31][C@@H:18]([CH3:4])[C:28]2=[N:33][C:22](=[CH:16][S:42]2)[C:26]([OH:37])=[N:32]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66805 chebi:66805 HTERYHQTEBIQTA-USLAZGEGSA-N	obyanamide (2S,5S,8S,11S,15S)-5-benzyl-15-ethyl-2,6,9,11-tetramethyl-8-(propan-2-yl)-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone (4S,8S,11S,14S,17S)-14-benzyl-4-ethyl-8,10,13,17-tetramethyl-11-propan-2-yl-7-oxa-19-thia-3,10,13,16,21-pentazabicyclo[16.2.1]henicosa-1(20),18(21)-diene-2,6,9,12,15-pentone
metacyc.compound:CPD-10394 metacycM:CPD-10394 seed.compound:cpd22662 seedM:cpd22662 HTERYHQTEBIQTA-USLAZGEGSA-N	obyanamide
seedM:M_cpd22662	secondary/obsolete/fantasy identifier