EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204227 - Memnopeptide A

ChEBI IDCHEBI:204227
ChEBI NameMemnopeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC76H108N16O18S
Net Charge0
Average Mass1565.861
Monoisotopic Mass1564.77482
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cncn1)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cncn1)NC(=O)C(CCS(C)=O)N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
InChIInChI=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
InChIKeyGRBLBISGALXJDT-LHTGWLQBSA-N
Species of MetaboliteComponentSourceComments
Memnoniella (ncbitaxon:80382) - PubMed (11776431)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78445404ChemSpider