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CHEBI:220561 - Ramoplanin A1

ChEBI IDCHEBI:220561
ChEBI NameRamoplanin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC118H152ClN21O40
Net Charge0
Average Mass2540.074
Monoisotopic Mass2538.01940
SMILESCCC/C=C/C=C\C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O
InChIInChI=1S/C118H152ClN21O40/c1-8-9-10-11-15-22-81(152)126-76(50-80(122)151)106(165)140-92-98(100(123)159)179-116(175)91(65-33-44-77(150)71(119)49-65)139-101(160)55(4)125-104(163)74(47-54(2)3)127-82(153)51-124-107(166)86(60-23-34-66(146)35-24-60)135-110(169)85(58(7)145)133-112(171)88(64-31-42-70(43-32-64)176-118-99(96(157)94(155)79(53-142)178-118)180-117-97(158)95(156)93(154)78(52-141)177-117)134-103(162)72(20-16-45-120)128-105(164)75(48-59-18-13-12-14-19-59)130-108(167)83(56(5)143)132-113(172)89(62-27-38-68(148)39-28-62)137-114(173)90(63-29-40-69(149)41-30-63)136-109(168)84(57(6)144)131-102(161)73(21-17-46-121)129-111(170)87(138-115(92)174)61-25-36-67(147)37-26-61/h10-15,18-19,22-44,49,54-58,72-76,78-79,83-99,117-118,141-150,154-158H,8-9,16-17,20-21,45-48,50-53,120-121H2,1-7H3,(H2,122,151)(H2,123,159)(H,124,166)(H,125,163)(H,126,152)(H,127,153)(H,128,164)(H,129,170)(H,130,167)(H,131,161)(H,132,172)(H,133,171)(H,134,162)(H,135,169)(H,136,168)(H,137,173)(H,138,174)(H,139,160)(H,140,165)/b11-10+,22-15-/t55-,56+,57-,58-,72-,73-,74+,75+,76+,78-,79-,83+,84-,85-,86+,87-,88+,89-,90+,91+,92+,93-,94-,95+,96+,97+,98+,99+,117-,118+/m1/s1
InChIKeyQMJRFQRMRCJRIV-NIIZMFKTSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes ramoplaninifer (ncbitaxon:457385) - PubMed (2597278)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ramoplanin A1 (CHEBI:220561) is a cyclodepsipeptide (CHEBI:35213)
Ramoplanin A1 (CHEBI:220561) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecahydroxy-49-(C-hydroxycarbonimidoyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetraconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaen-48-yl]-2-[[(2Z,4E)-1-hydroxyocta-2,4-dienylidene]amino]butanediimidic acid
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