CHEBI:202374 - GE-3B

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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 GE-3B
ChEBI ID CHEBI:202374
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H82N8O15
Net Charge 0
Average Mass 1023.236
Monoisotopic Mass 1022.58996
InChI InChI=1S/C49H82N8O15/c1-14-27(6)39(60)29(8)24-30(9)40-28(7)19-20-49(70,72-40)48(12,69)47(68)53-37(38(59)26(4)5)45(65)56-34(18-16-22-51-56)44(64)57(71)31(10)42(62)54(13)35(23-25(2)3)43(63)55-33(17-15-21-50-55)41(61)52-36(32(11)58)46(66)67/h14,24-26,28-29,31-38,40,50-51,58-59,69-71H,15-23H2,1-13H3,(H,52,61)(H,53,68)(H,66,67)/b27-14+,30-24+/t28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,48?,49+/m0/s1
InChIKey JZHHEDXKUYAXEI-XEOSYUJQSA-N
SMILES O=C(N[C@H](C(=O)N1NCCC[C@@H]1C(=O)N(O)[C@H](C(=O)N([C@@H](C(=O)N2NCCC[C@H]2C(=O)N[C@@H](C(=O)O)[C@@H](O)C)CC(C)C)C)C)[C@@H](O)C(C)C)C(O)([C@@]3(O[C@H](/C(=C/[C@@H](C(=O)/C(=C/C)/C)C)/C)[C@@H](C)CC3)O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing GE-3B (CHEBI:202374) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(2R,3S)-2-[[(3S)-2-[(2R)-2-[[(2S)-2-[[(3R)-2-[(2S,3S)-2-[[2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxypropanoyl]amino]-3-hydroxy-4-methylpentanoyl]diazinane-3-carbonyl]-hydroxyamino]propanoyl]-methylamino]-4-methylpentanoyl]diazinane-3-carbonyl]amino]-3-hydroxybutanoic acid
Manual Xref Database
78436860 ChemSpider
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