CHEBI:198567 - Marformycin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Marformycin E
ChEBI ID CHEBI:198567
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H66N8O11
Net Charge 0
Average Mass 859.035
Monoisotopic Mass 858.48510
InChI InChI=1S/C42H66N8O11/c1-21(2)16-30-40(57)49(10)35(24(7)8)42(59)61-25(9)34(48-38(55)32(22(3)4)43-20-51)39(56)45-29(17-26-12-14-28(60-11)15-13-26)36(53)47-33(23(5)6)41(58)50-31(37(54)46-30)18-27(52)19-44-50/h12-15,20-25,27,29-35,44,52H,16-19H2,1-11H3,(H,43,51)(H,45,56)(H,46,54)(H,47,53)(H,48,55)/t25-,27+,29-,30+,31+,32+,33-,34+,35+/m1/s1
InChIKey AVKYRWJIYHSTKI-ZBPXFRMLSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)=O)C[C@H](O)CN2)=O)CC3=CC=C(OC)C=C3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Marformycin E (CHEBI:198567) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-ormamido-N-[(3R,6R,9S,10R,13S,16S,19S,21S)-21-hydroxy-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-3,13-di(propan-2-yl)-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-3-methylbutanamide
Manual Xref Database
34981689 ChemSpider
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