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CHEBI:215649 - Zorbamycin B

ChEBI IDCHEBI:215649
ChEBI NameZorbamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H81N19O21S2
Net Charge0
Average Mass1396.488
Monoisotopic Mass1395.52958
SMILESCc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)NC(CCO)C(O)C(C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC(=N)N)cs2)cs1)C(C)O)[C@@H](OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cncn1
InChIInChI=1S/C54H81N19O21S2/c1-18-32(70-45(73-43(18)59)24(11-30(58)77)65-12-22(55)44(60)83)49(87)72-34(40(25-13-62-17-66-25)92-53-42(38(81)36(79)21(4)90-53)93-52-39(82)41(94-54(61)89)37(80)28(14-75)91-52)50(88)68-23(7-10-74)35(78)19(2)46(84)71-33(20(3)76)48(86)64-9-6-31-67-27(16-95-31)51-69-26(15-96-51)47(85)63-8-5-29(56)57/h13,15-17,19-24,28,33-42,52-53,65,74-76,78-82H,5-12,14,55H2,1-4H3,(H3,56,57)(H2,58,77)(H2,60,83)(H2,61,89)(H,62,66)(H,63,85)(H,64,86)(H,68,88)(H,71,84)(H,72,87)(H2,59,70,73)/t19?,20?,21?,22-,23?,24-,28?,33-,34-,35?,36?,37?,38?,39?,40-,41?,42?,52?,53?/m0/s1
InChIKeyMBXBZPPTVVAPCU-KGVKYHRPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5092789)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Zorbamycin B (CHEBI:215649) is a glycopeptide (CHEBI:24396)
IUPAC Name 
[2-[2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[6-[[(2S)-1-[2-[4-[4-[(3-amino-3-iminopropyl)carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
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