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CHEBI:198472 - Cyclothialidine C

ChEBI IDCHEBI:198472
ChEBI NameCyclothialidine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35N5O11S
Net Charge0
Average Mass625.657
Monoisotopic Mass625.20538
SMILESCc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)CSC2
InChIInChI=1S/C26H35N5O11S/c1-10-17(33)6-18(34)13-8-43-9-15(22(36)28-12(3)25(39)40)30-21(35)14(7-42-26(41)19(10)13)29-23(37)20-16(32)4-5-31(20)24(38)11(2)27/h6,11-12,14-16,20,32-34H,4-5,7-9,27H2,1-3H3,(H,28,36)(H,29,37)(H,30,35)(H,39,40)/t11-,12-,14-,15-,16+,20-/m0/s1
InChIKeyFSQBBUCGXSRLHM-UBOLUKANSA-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 C (CHEBI:198472) 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-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carbonyl]amino]propanoic acid
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8874507ChemSpider