EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216363 - Myxoprincomide-c506

ChEBI IDCHEBI:216363
ChEBI NameMyxoprincomide-c506
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74N10O16
Net Charge0
Average Mass1011.141
Monoisotopic Mass1010.52843
SMILESCN[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN)CC(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)(C)O
InChIInChI=1S/C45H74N10O16/c1-22(2)16-28(50-39(64)30(19-56)47-8)38(63)55-36(45(6,7)71)43(68)53-32(21-58)41(66)54-34(23(3)4)35(61)42(67)52-31(20-57)40(65)51-29(17-25-11-13-27(59)14-12-25)37(62)49-26(10-9-15-46)18-33(60)48-24(5)44(69)70/h11-14,22-24,26,28-32,34,36,47,56-59,71H,9-10,15-21,46H2,1-8H3,(H,48,60)(H,49,62)(H,50,64)(H,51,65)(H,52,67)(H,53,68)(H,54,66)(H,55,63)(H,69,70)/t24-,26-,28-,29-,30-,31-,32-,34-,36-/m0/s1
InChIKeyQKVBZIOMBXJEAO-XFVJEIOMSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (22162209)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Myxoprincomide-c506 (CHEBI:216363) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(3S)-6-amino-3-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(3S)-3-[[(2S)-3-hydroxy-2-[[(2R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-(methylamino)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methyl-2-oxopentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]propanoic acid