CHEBI:204515 - Malevamide C

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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 C
ChEBI ID CHEBI:204515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C79H125N13O16
Net Charge 0
Average Mass 1512.944
Monoisotopic Mass 1511.93672
InChI InChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50?,51-,52-,53+,55?,56-,57-,58-,59-,60-,61?,62-,63-,64-,65-/m0/s1
InChIKey AJYHEKJFCQXDSB-PDLWVTQISA-N
SMILES O=C1O[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N3[C@H](C(N4[C@H](C(N([C@H](C(NC(C1C)CCCC#C)=O)[C@H](CC)C)C)=O)CCC4)=O)CCC3)=O)CC(C)C)=O)C(C)C)C)=O)C)C)C)CC5=CC=CC=C5)C)COC)C)C(C)C)C)CCC2)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 )
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ChEBI Ontology
Outgoing Malevamide C (CHEBI:204515) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(1S,7S,10S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-pent-4-ynyl-17,29,44-tri(propan-2-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecazatetracyclo[47.3.0.03,7.022,26]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone
Manual Xref Database
78445515 ChemSpider
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