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CHEBI:216049 - Muscotoxin C

ChEBI IDCHEBI:216049
ChEBI NameMuscotoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H88N12O16
Net Charge0
Average Mass1197.399
Monoisotopic Mass1196.64412
SMILESCC=C1NC(=O)[C@H](CO)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C57H88N12O16/c1-7-10-12-19-34(72)27-37-47(75)56(84)61-36(22-23-43(58)73)48(76)59-28-44(74)68-24-15-20-41(68)53(81)63-38(26-33-17-13-11-14-18-33)50(78)66-45(31(4)5)55(83)65-39(29-70)51(79)60-35(9-3)49(77)64-40(30-71)52(80)67-46(32(6)8-2)57(85)69-25-16-21-42(69)54(82)62-37/h9,11,13-14,17-18,31-32,34,36-42,45-47,70-72,75H,7-8,10,12,15-16,19-30H2,1-6H3,(H2,58,73)(H,59,76)(H,60,79)(H,61,84)(H,62,82)(H,63,81)(H,64,77)(H,65,83)(H,66,78)(H,67,80)/t32-,34?,36+,37?,38-,39-,40-,41-,42-,45+,46+,47?/m0/s1
InChIKeyBMPIZPUAPRMYEH-XSHUOMFLSA-N
Species of MetaboliteComponentSourceComments
Desmonostoc (ncbitaxon:1340414) - PubMed (30332796)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Muscotoxin C (CHEBI:216049) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(6R,13S,19R,22S,28S,31R,34S,37S)-34-benzyl-19-[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide