CHEBI:214888 - RS-22C

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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 RS-22C
ChEBI ID CHEBI:214888
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C56H95N3O17
Net Charge 0
Average Mass 1082.380
Monoisotopic Mass 1081.66615
InChI InChI=1S/C56H95N3O17/c1-34-18-14-15-22-51(70)75-53(37(4)19-13-11-9-10-12-16-25-59-55(57-7)58-8)38(5)21-17-20-35(2)45(63)28-41(61)26-40(60)27-42(74-52(71)32-50(68)69)29-43-30-48(66)54(72)56(73,76-43)33-49(67)36(3)23-24-44(62)39(6)47(65)31-46(34)64/h9-10,14-15,17-18,20-22,34,36-49,53-54,60-67,72-73H,11-13,16,19,23-33H2,1-8H3,(H,68,69)(H2,57,58,59)/b10-9+,18-14-,21-17-,22-15-,35-20-
InChIKey QZHGHZHNPQLENX-FGMPRJMCSA-N
SMILES O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=NC)NC)C
Metabolite of Species Details
Streptomyces violaceusniger (NCBI:txid68280) See: PubMed
ChEBI Ontology
Outgoing RS-22C (CHEBI:214888) is a macrolide (CHEBI:25106)
IUPAC Name
3-[[(10E,12E,18E,20E)-15-[(E)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Manual Xref Database
78444666 ChemSpider
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