EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198838 - Moenomycin-B2

ChEBI IDCHEBI:198838
ChEBI NameMoenomycin-B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H106N5O34P
Net Charge0
Average Mass1568.571
Monoisotopic Mass1567.64568
SMILESC=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CO[C@H](COP(=O)(O)OC1OC(C(N)=O)C(O)[C@H](OC(N)=O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O[C@@H]3OC(C(=O)NC4=C(O)CCC4=O)[C@H](O)C(O)C3O)[C@H](O)C2NC(C)=O)[C@H](O)C1NC(C)=O)C(=O)O
WURCSWURCS=2.0/5,5,4/[ax1xxA-1x_1-5_1*OPOCC^ROCC=^ZCCCC=^ECCCCCCC=^ECCCC=CC/25C/21C/18=C/15C/15C/10C/6CO/33=O/3O/3=O_3*OCN/3=O_6*N][ax1xxh-1x_1-5_2*NCC/3=O][ax1xxm-1x_1-5_2*NCC/3=O][axx1xA-1u_1-5_6*NCCCCC=^X$3/7O/4=O][axxxxh-1x_1-5]/1-2-3-4-5/a2-b1_b4-c1_b6-e1_c4-d1
InChIInChI=1S/C68H106N5O34P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-68(9,10)23-12-11-15-31(4)22-25-95-40(61(90)91)28-97-108(93,94)107-66-58(55(106-67(70)92)52(87)56(103-66)59(69)88)105-63-43(72-35(8)76)46(81)54(39(100-63)27-96-64-50(85)47(82)44(79)38(26-74)99-64)102-62-42(71-34(7)75)45(80)53(33(6)98-62)101-65-51(86)48(83)49(84)57(104-65)60(89)73-41-36(77)19-20-37(41)78/h12,14,17,22-23,33,38-40,42-58,62-66,74,77,79-87H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,69,88)(H2,70,92)(H,71,75)(H,72,76)(H,73,89)(H,90,91)(H,93,94)/b23-12+,30-17+,31-22-/t33?,38?,39?,40-,42?,43?,44?,45-,46-,47?,48?,49-,50?,51?,52?,53?,54?,55+,56?,57?,58?,62?,63?,64?,65-,66?/m1/s1
InChIKeySHSXEDBTKZLLOJ-YDFBMLCXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces prasinus (ncbitaxon:67345) - PubMed (4312665)
ChEBI Ontology
Outgoing Relation(s)
Moenomycin-B2 (CHEBI:198838) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2R)-3-[[(4S)-3-[(4R)-3-acetamido-5-[(4R)-3-acetamido-4-hydroxy-6-methyl-5-[(2R,5R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propanoic acid
Manual XrefsDatabases
78445768ChemSpider