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CHEBI:209923 - Cyclothialidine B

ChEBI IDCHEBI:209923
ChEBI NameCyclothialidine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N5O11S
Net Charge0
Average Mass611.630
Monoisotopic Mass611.18973
SMILESC[C@H](N)C(=O)N1CC[C@@H](O)[C@H]1C(=O)N[C@H]1COC(=O)c2cc(O)cc(O)c2CSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC1=O
InChIInChI=1S/C25H33N5O11S/c1-10(26)23(37)30-4-3-17(32)19(30)22(36)28-15-7-41-25(40)13-5-12(31)6-18(33)14(13)8-42-9-16(29-20(15)34)21(35)27-11(2)24(38)39/h5-6,10-11,15-17,19,31-33H,3-4,7-9,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,34)(H,38,39)/t10-,11-,15-,16-,17+,19-/m0/s1
InChIKeyFYYGQGDAPAQONZ-QIVYEFRKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9207910)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclothialidine B (CHEBI:209923) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-aminopropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carbonyl]amino]propanoic acid
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