EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213915 - Pyrroindomycin A

ChEBI IDCHEBI:213915
ChEBI NamePyrroindomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H80N4O15
Net Charge0
Average Mass1097.313
Monoisotopic Mass1096.56202
SMILESCCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)NC(=O)C(=C(O)C2(C)C(C=CC4C(O[C@@H]5CC[C@H](O[C@H]6C[C@](C)(O)[C@H](O[C@H]7C[C@@H](OC(=O)c8cc9c(n8)nc8ccccc89)[C@@H](N)[C@@H](C)O7)[C@@H](C)O6)[C@H](C)O5)CCCC42)CC1O)C3=O
InChIInChI=1S/C60H80N4O15/c1-9-32-24-57(6)25-37(55(69)70)28(2)60(27-57)51(67)48(54(68)64-60)50(66)59(8)33(21-41(32)65)17-18-35-38(59)14-12-16-43(35)77-45-20-19-42(29(3)73-45)76-47-26-58(7,72)52(31(5)75-47)79-46-23-44(49(61)30(4)74-46)78-56(71)40-22-36-34-13-10-11-15-39(34)62-53(36)63-40/h10-11,13,15,17-18,22,25,28-33,35,38,41-47,49,52,62-63,65-66,72H,9,12,14,16,19-21,23-24,26-27,61H2,1-8H3,(H,64,68)(H,69,70)/t28?,29-,30+,31+,32?,33?,35?,38?,41?,42-,43?,44+,45+,46-,47-,49-,52+,57?,58-,59?,60?/m0/s1
InChIKeyWBRRERWUHZUEOG-JJHZGEEKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8002387)
ChEBI Ontology
Outgoing Relation(s)
Pyrroindomycin A (CHEBI:213915) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
11-[(2S,5S,6S)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6R)-5-amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid