CHEBI:204227 - Memnopeptide 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 Memnopeptide A
ChEBI ID CHEBI:204227
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C76H108N16O18S
Net Charge 0
Average Mass 1565.850
Monoisotopic Mass 1564.77482
InChI InChI=1S/C76H108N16O18S/c1-40(2)30-51(71(105)90-27-10-14-55(90)72(106)91-28-11-15-56(91)73(107)108)87-66(100)53-13-9-26-89(53)70(104)48(18-21-61(78)96)83-63(97)49(31-42-35-79-38-81-42)85-65(99)52-12-8-25-88(52)69(103)47(17-20-60(77)95)84-64(98)50(32-43-36-80-39-82-43)86-67(101)54(23-29-111(7)109)92-37-46-44(68(92)102)33-57(93)45-34-76(110-62(45)46)41(3)16-19-58-74(4,5)59(94)22-24-75(58,76)6/h33,35-36,38-41,47-56,58-59,93-94H,8-32,34,37H2,1-7H3,(H2,77,95)(H2,78,96)(H,79,81)(H,80,82)(H,83,97)(H,84,98)(H,85,99)(H,86,101)(H,87,100)(H,107,108)/t41-,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,58+,59-,75+,76-,111?/m1/s1
InChIKey GRBLBISGALXJDT-LHTGWLQBSA-N
SMILES S(=O)(CCC(N1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3)C(=O)NC(C(=O)NC(C(=O)N6C(C(=O)NC(C(=O)NC(C(=O)N7C(C(=O)NC(C(=O)N8C(C(=O)N9C(C(=O)O)CCC9)CCC8)CC(C)C)CCC7)CCC(=O)N)CC=%10NC=NC%10)CCC6)CCC(=O)N)CC=%11NC=NC%11)C
Metabolite of Species Details
Memnoniella (NCBI:txid80382) 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 Memnopeptide A (CHEBI:204227) is a oligopeptide (CHEBI:25676)
IUPAC Name
1-[1-[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylsulinylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
78445404 ChemSpider
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