CHEBI:213915 - Pyrroindomycin A

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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 Pyrroindomycin A
ChEBI ID CHEBI:213915
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C60H80N4O15
Net Charge 0
Average Mass 1097.313
Monoisotopic Mass 1096.56202
InChI InChI=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
InChIKey WBRRERWUHZUEOG-JJHZGEEKSA-N
SMILES O=C1NC23C(C(C(=O)O)=CC(C2)(CC(CC)C(CC4C(C(=C1C3=O)O)(C5C(C(O[C@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](N)[C@@H](C8)OC(=O)C=9NC=%10NC=%11C=CC=CC%11C%10C9)C)[C@](C7)(O)C)C)CC6)C)CCC5)C=C4)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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