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CHEBI:201034 - Cyclothialidine D

ChEBI IDCHEBI:201034
ChEBI NameCyclothialidine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N5O11S
Net Charge0
Average Mass597.603
Monoisotopic Mass597.17408
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)NCC(=O)O)NC1=O
InChIInChI=1S/C24H31N5O11S/c1-10(25)23(38)29-3-2-16(31)19(29)22(37)27-14-7-40-24(39)12-4-11(30)5-17(32)13(12)8-41-9-15(28-21(14)36)20(35)26-6-18(33)34/h4-5,10,14-16,19,30-32H,2-3,6-9,25H2,1H3,(H,26,35)(H,27,37)(H,28,36)(H,33,34)/t10-,14-,15-,16+,19-/m0/s1
InChIKeyQGZCMTZWELAYOU-HCYVDOCESA-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 D (CHEBI:201034) is a oligopeptide (CHEBI:25676)
IUPAC Name 
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]acetic acid
Manual XrefsDatabases
8992637ChemSpider