EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211616 - Respinomycin-A2

ChEBI IDCHEBI:211616
ChEBI NameRespinomycin-A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H58N2O15
Net Charge0
Average Mass842.936
Monoisotopic Mass842.38372
SMILESCOC1C(OC2C(C)OC(O[C@H]3[C@@H](N(C)C)[C@H](O)[C@H]4Oc5c(ccc6c5C(=O)c5c(cc7c(c5O)C[C@@H](OC)[C@](C)(O)C7)C6=O)[C@]3(C)O4)CC2(C)N)OC(C)C(O)C1(C)O
WURCSWURCS=2.0/2,2,1/[adXxxm-1x_1-5_1*OC^SC^S(CCCCCC$5/8)C(CCCCCC$12/16)CC^RC^ROC/20C($15/14)O/19C/19O(/13)C($7/6)OC^RC^SC^SNC/32C/31$3/30O/29O$4/27=O/11=O/4C_3*C_3*N][axXxxm-1x_1-5_2*OC_3*C]/1-2/a4-b1
InChIInChI=1S/C43H58N2O15/c1-17-34(50)42(5,52)37(54-10)39(56-17)59-35-18(2)55-25(16-40(35,3)44)57-36-28(45(7)8)32(49)38-58-33-23(43(36,6)60-38)12-11-20-27(33)31(48)26-22(29(20)46)13-19-15-41(4,51)24(53-9)14-21(19)30(26)47/h11-13,17-18,24-25,28,32,34-39,47,49-52H,14-16,44H2,1-10H3/t17?,18?,24-,25?,28+,32+,34?,35?,36+,37?,38+,39?,40?,41-,42?,43+/m1/s1
InChIKeyRMEJXXRMYWGEAP-OKNCDKNNSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora xanthocidica (ncbitaxon:83382) - PubMed (8344876)
ChEBI Ontology
Outgoing Relation(s)
Respinomycin-A2 (CHEBI:211616) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(1S,11R,12R,21S,22S,23S,24S)-24-[4-amino-5-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]oxy-23-(dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
Manual XrefsDatabases
78445258ChemSpider