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CHEBI:198916 - Marthiapeptide A

ChEBI IDCHEBI:198916
ChEBI NameMarthiapeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H31N7O3S4
Net Charge0
Average Mass665.892
Monoisotopic Mass665.13712
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CSC(=N2)c2csc(n2)-c2csc(n2)-c2csc(n2)[C@@H](C)NC1=O
InChIInChI=1S/C30H31N7O3S4/c1-4-15(2)23-26(40)31-16(3)27-34-20(12-41-27)29-36-22(14-43-29)30-35-21(13-44-30)28-33-19(11-42-28)25(39)32-18(24(38)37-23)10-17-8-6-5-7-9-17/h5-9,12-16,18-19,23H,4,10-11H2,1-3H3,(H,31,40)(H,32,39)(H,37,38)/t15-,16+,18+,19-,23-/m0/s1
InChIKeyBTQRWSUKDHTMKD-DUKGZVIDSA-N
Species of MetaboliteComponentSourceComments
Marinactinospora (ncbitaxon:647960) - PubMed (23215246)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Marthiapeptide A (CHEBI:198916) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(13R,16R,19S,22R)-16-benzyl-19-[(2S)-butan-2-yl]-22-methyl-3,7,11,24-tetrathia-15,18,21,26,27,28,29-heptazapentacyclo[21.2.1.12,5.16,9.110,13]nonacosa-1(25),2(29),4,6(28),8,10(27),23(26)-heptaene-14,17,20-trione
Manual XrefsDatabases
28536074ChemSpider