CHEBI:206601 - 12-carbamoylstreptothricin D acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-carbamoylstreptothricin D acid
ChEBI ID CHEBI:206601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H60N12O11
Net Charge 0
Average Mass 776.894
Monoisotopic Mass 776.45045
InChI InChI=1S/C31H60N12O11/c32-7-1-4-15(34)10-20(45)38-8-2-5-16(35)11-21(46)39-9-3-6-17(36)12-22(47)40-25-27(49)26(48)19(14-53-30(37)52)54-28(25)43-31-41-23(18(44)13-33)24(42-31)29(50)51/h15-19,23-28,44,48-49H,1-14,32-36H2,(H2,37,52)(H,38,45)(H,39,46)(H,40,47)(H,50,51)(H2,41,42,43)/t15?,16?,17?,18-,19?,23-,24+,25?,26?,27?,28?/m1/s1
InChIKey XWKGHODLELXRJG-SAWARPNVSA-N
SMILES O=C(OCC1OC(NC2=N[C@H](C(=O)O)[C@H](N2)[C@H](O)CN)C(NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)C(C1O)O)N
Metabolite of Species Details
Streptomyces qinlingensis (NCBI:txid360709) See: PubMed
ChEBI Ontology
Outgoing 12-carbamoylstreptothricin D acid (CHEBI:206601) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
(4S,5S)-2-[[3-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-6-(carbamoyloxymethyl)-4,5-dihydroxyoxan-2-yl]amino]-5-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydro-1H-imidazole-4-carboxylic acid
Manual Xref Database
78445158 ChemSpider
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