CHEBI:199362 - Malevamide B

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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 B
ChEBI ID CHEBI:199362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C76H124N12O14
Net Charge 0
Average Mass 1429.898
Monoisotopic Mass 1428.93600
InChI InChI=1S/C76H124N12O14/c1-24-32-52-49(16)76(101)102-63(47(13)14)75(100)80(18)50(17)64(89)78-57(42(3)4)70(95)84(22)60(44(7)8)72(97)85(23)62(46(11)12)74(99)88-40-31-37-55(88)68(93)82(20)59(43(5)6)66(91)79-58(48(15)25-2)71(96)86-38-29-36-54(86)69(94)83(21)61(45(9)10)73(98)87-39-30-35-53(87)67(92)81(19)56(65(90)77-52)41-51-33-27-26-28-34-51/h26-28,33-34,42-50,52-63H,24-25,29-32,35-41H2,1-23H3,(H,77,90)(H,78,89)(H,79,91)/t48-,49?,50-,52?,53-,54-,55-,56-,57-,58-,59?,60?,61?,62?,63+/m0/s1
InChIKey IJCFPNODXKAIPP-DBABXTLQSA-N
SMILES O=C1O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C(C(=O)N(C(C(=O)N2[C@H](C(=O)N(C(C(C)C)C(N[C@H](C(N3[C@H](C(N(C(C(N4[C@H](C(N([C@H](C(NC(C1C)CCC)=O)CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CCC3)=O)[C@H](CC)C)=O)C)CCC2)C(C)C)C)C(C)C)C)C(C)C)C)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 B (CHEBI:199362) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(6S,12S,18S,30S,33S,36R,43S,46S)-43-benzyl-12-[(2S)-butan-2-yl]-4,16,25,28,33,34,39,44-octamethyl-3,15,24,27,30,36-hexa(propan-2-yl)-40-propyl-37-oxa-1,4,10,13,16,22,25,28,31,34,41,44-dodecazatetracyclo[44.3.0.06,10.018,22]nonatetracontane-2,5,11,14,17,23,26,29,32,35,38,42,45-tridecone
Manual Xref Database
10235575 ChemSpider
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