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CHEBI:203194 - Cyclothialidine E

ChEBI IDCHEBI:203194
ChEBI NameCyclothialidine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N5O11S
Net Charge0
Average Mass611.630
Monoisotopic Mass611.18973
SMILESCc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(N)=O)CSC2
InChIInChI=1S/C25H33N5O11S/c1-10-16(32)6-17(33)11-8-42-9-14(21(27)36)29-22(37)13(7-41-25(40)19(10)11)28-23(38)20-15(31)4-5-30(20)24(39)12(26)2-3-18(34)35/h6,12-15,20,31-33H,2-5,7-9,26H2,1H3,(H2,27,36)(H,28,38)(H,29,37)(H,34,35)/t12-,13-,14-,15+,20-/m0/s1
InChIKeyPVRMXRCYXJPYJV-MOMPZSSISA-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 E (CHEBI:203194) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S)-4-amino-5-[(2S,3R)-2-[[(5R,8S)-5-carbamoyl-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-8-yl]carbamoyl]-3-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid
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8969144ChemSpider