CHEBI:209351 - Marformycin A

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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 A
ChEBI ID CHEBI:209351
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H68N8O10
Net Charge 0
Average Mass 857.063
Monoisotopic Mass 856.50584
InChI InChI=1S/C43H68N8O10/c1-12-26(8)34-42(58)51-32(14-13-19-45-51)38(54)47-31(20-23(2)3)41(57)50(10)36(25(6)7)43(59)61-27(9)35(49-39(55)33(24(4)5)44-22-52)40(56)46-30(37(53)48-34)21-28-15-17-29(60-11)18-16-28/h15-18,22-27,30-36,45H,12-14,19-21H2,1-11H3,(H,44,52)(H,46,56)(H,47,54)(H,48,53)(H,49,55)/t26-,27+,30+,31-,32-,33-,34+,35-,36-/m0/s1
InChIKey LURGILDDCOKZRE-QNNCKDESSA-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@H](CC)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 )
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ChEBI Ontology
Outgoing Marformycin A (CHEBI:209351) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-N-[(3R,6R,9S,10R,13S,16S,19S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-13-propan-2-yl-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-2-ormamido-3-methylbutanamide
Manual Xref Database
34947483 ChemSpider
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