CHEBI:199569 - Malevamide 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 Malevamide E
ChEBI ID CHEBI:199569
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C60H94N8O11
Net Charge 0
Average Mass 1103.457
Monoisotopic Mass 1102.70421
InChI InChI=1S/C60H94N8O11/c1-38(2)50-57(74)65(13)47(36-44-30-22-20-23-31-44)56(73)66(14)51(39(3)4)58(75)67(15)52(40(5)6)59(76)68-35-27-34-46(68)54(71)64(12)48(37-49(69)61-10)55(72)63(11)43(9)60(77)79-42(8)29-21-18-17-19-24-32-45(78-16)33-26-25-28-41(7)53(70)62-50/h17,19-20,22-23,25-26,28,30-31,38-40,42-43,45-48,50-52H,18,21,24,27,29,32-37H2,1-16H3,(H,61,69)(H,62,70)/t42?,43-,45?,46+,47+,48+,50-,51+,52+/m1/s1
InChIKey JCNPRLFFSUMABB-OFOGQRPBSA-N
SMILES O=C1N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(OC(CCCC=CCCC(CC=CC=C1C)OC)C)=O)C)C)CC(=O)NC)C)CCC2)C(C)C)C)C(C)C)C)CC3=CC=CC=C3)C)C(C)C
Metabolite of Species Details
Symploca (NCBI:txid105591) See: PubMed
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 Malevamide E (CHEBI:199569) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[(3S,6S,9S,12R,31R,34S,37S)-9-benzyl-20-methoxy-4,7,10,15,28,31,32,35-octamethyl-2,5,8,11,14,30,33,36-octaoxo-3,6,12-tri(propan-2-yl)-29-oxa-1,4,7,10,13,32,35-heptazabicyclo[35.3.0]tetraconta-15,17,23-trien-34-yl]-N-methylacetamide