CHEBI:227472 - Marformycin F

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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 F
ChEBI ID CHEBI:227472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H66N8O10
Net Charge 0
Average Mass 843.036
Monoisotopic Mass 842.49019
InChI InChI=1S/C42H66N8O10/c1-22(2)19-30-40(56)49(10)35(25(7)8)42(58)60-26(9)34(48-38(54)32(23(3)4)43-21-51)39(55)45-29(20-27-14-16-28(59-11)17-15-27)36(52)47-33(24(5)6)41(57)50-31(37(53)46-30)13-12-18-44-50/h14-17,21-26,29-35,44H,12-13,18-20H2,1-11H3,(H,43,51)(H,45,55)(H,46,53)(H,47,52)(H,48,54)/t26-,29-,30+,31+,32+,33-,34+,35+/m1/s1
InChIKey YHBUARZUCVRARP-RTQHVXCCSA-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)CCCN2)=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Marformycin F (CHEBI:227472) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-ormamido-N-[(3R,6R,9S,10R,13S,16S,19S)-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
34981688 ChemSpider
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