EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223538 - Cleomycin B2

ChEBI IDCHEBI:223538
ChEBI NameCleomycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H84N20O21S2
Net Charge0
Average Mass1437.541
Monoisotopic Mass1436.55613
SMILESCc1c(N)nc([C@@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc1C(=O)N[C@@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCN=C(N)N)cs2)cs1)C1(O)CC1)[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)c1cncn1
InChIInChI=1S/C56H84N20O21S2/c1-20-32(73-45(76-43(20)59)24(12-30(58)79)68-13-23(57)44(60)85)48(88)74-33(39(25-14-64-19-69-25)95-53-41(37(83)35(81)28(15-77)94-53)96-52-38(84)40(97-55(63)91)36(82)29(16-78)93-52)49(89)70-22(3)34(80)21(2)46(86)75-42(56(92)7-8-56)50(90)66-11-6-31-71-27(18-98-31)51-72-26(17-99-51)47(87)65-9-4-5-10-67-54(61)62/h14,17-19,21-24,28-29,33-42,52-53,68,77-78,80-84,92H,4-13,15-16,57H2,1-3H3,(H2,58,79)(H2,60,85)(H2,63,91)(H,64,69)(H,65,87)(H,66,90)(H,70,89)(H,74,88)(H,75,86)(H2,59,73,76)(H4,61,62,67)/t21-,22+,23+,24+,28-,29+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,52+,53-/m0/s1
InChIKeyHHZSNKZXZCTAOT-OXZUVTRJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6160138)
ChEBI Ontology
Outgoing Relation(s)
Cleomycin B2 (CHEBI:223538) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-2-[(1S,2R)-2-[[6-amino-2-[(1R)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(1R)-2-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-(1-hydroxycyclopropyl)-2-oxoethyl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Manual XrefsDatabases
78443102ChemSpider