CHEBI:204836 - Thiazomycin D

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ChEBI Name Thiazomycin D
ChEBI ID CHEBI:204836
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H55N13O19S5
Net Charge 0
Average Mass 1410.460
Monoisotopic Mass 1409.23407
InChI InChI=1S/C59H55N13O19S5/c1-20(46(60)76)61-47(77)29-17-95-55(66-29)40-34(74)10-25-39(68-40)28-15-93-53(63-28)27-14-89-57(82)42-26-13-87-43(44(91-35-11-59(5,84)45(75)23(4)90-35)58(83)88-12-24-8-7-9-33(36(24)26)72(42)85)41(56-67-30(18-96-56)48(78)62-27)71-50(80)32-19-94-54(65-32)38(22(3)86-6)70-51(81)37(21(2)73)69-49(79)31-16-92-52(25)64-31/h7-10,15-19,21,23,27,35,37,41,43-45,73-75,84-85H,1,11-14H2,2-6H3,(H2,60,76)(H,61,77)(H,62,78)(H,69,79)(H,70,81)(H,71,80)/t21-,23+,27+,35+,37+,41+,43+,44+,45-,59+/m1/s1
InChIKey UZZVXLOCAWZSCJ-FSWKDJDBSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(NC2=C(OC)C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@@H](O)[C@](C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9O)=O
Metabolite of Species Details
Actinokineospora fastidiosa (NCBI:txid1816) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thiazomycin D (CHEBI:204836) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name
N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18S,28S,29S,30S)-30-[(2S,4S,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Manual Xref Database
78440200 ChemSpider
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